ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | G857-0224 |
| Compound Name: | ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C23 H27 N5 O4 S |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CN1C(=NC(C)=C(C)C1=O)n1c(C)cc(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2764 |
| logD: | 0.3816 |
| logSw: | -2.7429 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.877 |
| InChI Key: | VEPXREVHQAEOMU-UHFFFAOYSA-N |